dipotassium bis(5-ethoxy-5-oxopentanoate)

C14H22K2O8 — CID 141062236

IUPACdipotassium bis(5-ethoxy-5-oxopentanoate)
SMILESCCOC(=O)CCCC(=O)[O-].CCOC(=O)CCCC(=O)[O-].[K+].[K+]
InChIInChI=1S/2C7H12O4.2K/c2*1-2-11-7(10)5-3-4-6(8)9;;/h2*2-5H2,1H3,(H,8,9);;/q;;2*+1/p-2
InChIKeyOTFCGCSUUCIHMB-UHFFFAOYSA-L
MW396.52 g/mol
LogP-7.05
Rot. Bonds10

About dipotassium bis(5-ethoxy-5-oxopentanoate)

dipotassium bis(5-ethoxy-5-oxopentanoate) (PubChem CID 141062236) has the molecular formula C14H22K2O8 and a molecular weight of 396.52 g/mol. Its IUPAC name is dipotassium bis(5-ethoxy-5-oxopentanoate).

Molecular Properties

Compound Namedipotassium bis(5-ethoxy-5-oxopentanoate)
PubChem CID141062236
Molecular FormulaC14H22K2O8
Molecular Weight396.52 g/mol
Exact Mass396.06
IUPAC Namedipotassium bis(5-ethoxy-5-oxopentanoate)
SMILESCCOC(=O)CCCC(=O)[O-].CCOC(=O)CCCC(=O)[O-].[K+].[K+]
InChIInChI=1S/2C7H12O4.2K/c2*1-2-11-7(10)5-3-4-6(8)9;;/h2*2-5H2,1H3,(H,8,9);;/q;;2*+1/p-2
InChIKeyOTFCGCSUUCIHMB-UHFFFAOYSA-L
XLogP-7.05
TPSA132.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 5-7.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze dipotassium bis(5-ethoxy-5-oxopentanoate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl hexanedioate
CID 160747628
diethyl icosanedioate
CID 5058538
ethyl 5-ethoxy-5-sulfanylidenepentanoate
CID 54196447
5-ethoxy-5-oxopentaneperoxoic acid
CID 15430781
5-ethoxy-5-oxopentanoic acid;pentanedioic acid
CID 161278417
5-(chloromethoxy)-5-oxopentanoate
CID 71403842
1-O-ethyl 5-O-(methoxymethyl) pentanedioate
CID 174421826
potassium 6-dodecoxy-6-oxohexanoate
CID 102118511
sodium;diethyl decanedioate;hydride
CID 173076435
potassium 5-oxo-5-tetradecanoyloxypentanoate
CID 158283143
pentakis(ethyl octanoate);hexane
CID 173194775
ethyl hexanoate;nickel(2+)
CID 162067155

Frequently Asked Questions

What is the IUPAC name of dipotassium bis(5-ethoxy-5-oxopentanoate)?
The IUPAC name of dipotassium bis(5-ethoxy-5-oxopentanoate) (CID 141062236) is dipotassium bis(5-ethoxy-5-oxopentanoate).
What is the SMILES notation for dipotassium bis(5-ethoxy-5-oxopentanoate)?
The canonical SMILES for dipotassium bis(5-ethoxy-5-oxopentanoate) is CCOC(=O)CCCC(=O)[O-].CCOC(=O)CCCC(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium bis(5-ethoxy-5-oxopentanoate)?
The InChIKey is OTFCGCSUUCIHMB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H12O4.2K/c2*1-2-11-7(10)5-3-4-6(8)9;;/h2*2-5H2,1H3,(H,8,9);;/q;;2*+1/p-2.
What are the key properties of dipotassium bis(5-ethoxy-5-oxopentanoate)?
dipotassium bis(5-ethoxy-5-oxopentanoate) has a molecular weight of 396.52 g/mol, XLogP of -7.05, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium bis(5-ethoxy-5-oxopentanoate) is sourced from PubChem (CID 141062236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).